3-Methylcrotonyl CoA
TL;DR: 3-Methylcrotonyl CoA (CAS 6712-03-4) is a chemical compound with molecular formula C26H42N7O17P3S and molecular weight 849.1571 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-methylbut-2-enethioate
Also Known As: 3-methylcrotonyl-CoA, 3-Methylcrotonyl CoA, Dimethylacryloyl-CoA, beta-Methylcrotonyl CoA, .beta.-Methylcrotonyl CoA
Technical Specifications
| Molecular Formula | C26H42N7O17P3S |
| Molecular Weight | 849.1571 g/mol |
| XLogP | -4.2 |
| Topological Polar Surface Area (TPSA) | 389.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 21 |
| Exact Mass | 849.1571 Da |
| Heavy Atoms | 54 |
| Complexity | 1500.0 |
| SMILES | CC(=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)C |
| InChIKey | BXIPALATIYNHJN-UHFFFAOYSA-N |
Product Description
Applications: 3-Methylcrotonyl CoA is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-Methylcrotonyl CoA (CAS 6712-03-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A fine chemical supplied by CoreyChem, 3-Methylcrotonyl CoA (CAS 6712-03-4) has the molecular formula C26H42N7O17P3S and a molecular weight of 849.16 g/mol. It is also known as 3-methylcrotonyl-CoA and 3-Methylcrotonyl CoA.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3-Methylcrotonyl CoA
Property Insights of 3-Methylcrotonyl CoA
The XLogP value of -4.2 indicates that 3-Methylcrotonyl CoA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 389.0 Ų indicates high polarity, suggesting 3-Methylcrotonyl CoA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Methylcrotonyl CoA has 9 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-Methylcrotonyl CoA?
The CAS number of 3-Methylcrotonyl CoA is 6712-03-4.
What is the molecular formula of 3-Methylcrotonyl CoA?
The molecular formula of 3-Methylcrotonyl CoA is C26H42N7O17P3S.
What is the molecular weight of 3-Methylcrotonyl CoA?
The molecular weight of 3-Methylcrotonyl CoA is 849.1571 g/mol.
What are the applications of 3-Methylcrotonyl CoA?
3-Methylcrotonyl CoA is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-Methylcrotonyl CoA (CAS 6712-03-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS,...
Where can I buy 3-Methylcrotonyl CoA?
You can request a quote for 3-Methylcrotonyl CoA directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methylcrotonyl CoA?
Yes, CoreyChem provides custom synthesis services for 3-Methylcrotonyl CoA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.